Geometry & MOs

Info

ID:

46961

PubChem CID:

10528667

Reduced:

O5C29H50 (1)

Stoich.:

A5B29C50 (1)

Weight, g/mol:

478.344695

ΔHf, kcal/mol:

-308.13

Dipole, Da:

6.83

IP(EA), eV:

 -9.94(0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,5R,6R,9S,10R,15R,16R,20S)-5-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-18-oxahexacyclo[13.5.2.01,9.02,6.010,15.016,20]docos-21-ene-13,17-dione

Drug info:

PubChemData

Smile

C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O

DOS

IR

Vibrations